(E)-2-cyano-N-(furan-2-ylmethyl)-3-(2-iodophenyl)prop-2-enamide

C15H11IN2O2 — CID 2688552

IUPAC(E)-2-cyano-N-(furan-2-ylmethyl)-3-(2-iodophenyl)prop-2-enamide
SMILESN#C/C(=C\c1ccccc1I)C(=O)NCc1ccco1
InChIInChI=1S/C15H11IN2O2/c16-14-6-2-1-4-11(14)8-12(9-17)15(19)18-10-13-5-3-7-20-13/h1-8H,10H2,(H,18,19)/b12-8+
InChIKeyOBDFAAVSIHNMTP-XYOKQWHBSA-N
MW378.17 g/mol
LogP3.11
Rot. Bonds4

About (E)-2-cyano-N-(furan-2-ylmethyl)-3-(2-iodophenyl)prop-2-enamide

(E)-2-cyano-N-(furan-2-ylmethyl)-3-(2-iodophenyl)prop-2-enamide (PubChem CID 2688552) has the molecular formula C15H11IN2O2 and a molecular weight of 378.17 g/mol. Its IUPAC name is (E)-2-cyano-N-(furan-2-ylmethyl)-3-(2-iodophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-(furan-2-ylmethyl)-3-(2-iodophenyl)prop-2-enamide
PubChem CID2688552
Molecular FormulaC15H11IN2O2
Molecular Weight378.17 g/mol
Exact Mass377.99
IUPAC Name(E)-2-cyano-N-(furan-2-ylmethyl)-3-(2-iodophenyl)prop-2-enamide
SMILESN#C/C(=C\c1ccccc1I)C(=O)NCc1ccco1
InChIInChI=1S/C15H11IN2O2/c16-14-6-2-1-4-11(14)8-12(9-17)15(19)18-10-13-5-3-7-20-13/h1-8H,10H2,(H,18,19)/b12-8+
InChIKeyOBDFAAVSIHNMTP-XYOKQWHBSA-N
XLogP3.11
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.17
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-cyano-N-(furan-2-ylmethyl)-3-(2-nitrophenyl)prop-2-enamide
CID 4963256
(E)-3-(5-bromo-2-fluorophenyl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 7480967
2-cyano-3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 789481
(Z)-2-cyano-3-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 60528555
(E)-2-cyano-N-(furan-2-ylmethyl)-3-naphthalen-2-ylprop-2-enamide
CID 7480965
2-cyano-N-(furan-2-ylmethyl)-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-enamide
CID 3138086
(E)-2-cyano-N-(furan-2-ylmethyl)-3-(1H-imidazol-5-yl)prop-2-enamide
CID 146025232
(E)-3-(2H-chromen-3-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 6526280
(E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 1117832
(Z)-2-cyano-3-(2-ethoxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 19183763
2-cyano-3-(2-iodophenyl)-N-methylprop-2-enamide
CID 3906510
2-cyano-N-(furan-2-ylmethyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 2876439

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-(furan-2-ylmethyl)-3-(2-iodophenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-(furan-2-ylmethyl)-3-(2-iodophenyl)prop-2-enamide (CID 2688552) is (E)-2-cyano-N-(furan-2-ylmethyl)-3-(2-iodophenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-(furan-2-ylmethyl)-3-(2-iodophenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-(furan-2-ylmethyl)-3-(2-iodophenyl)prop-2-enamide is N#C/C(=C\c1ccccc1I)C(=O)NCc1ccco1.
What is the InChIKey of (E)-2-cyano-N-(furan-2-ylmethyl)-3-(2-iodophenyl)prop-2-enamide?
The InChIKey is OBDFAAVSIHNMTP-XYOKQWHBSA-N. The full InChI is InChI=1S/C15H11IN2O2/c16-14-6-2-1-4-11(14)8-12(9-17)15(19)18-10-13-5-3-7-20-13/h1-8H,10H2,(H,18,19)/b12-8+.
What are the key properties of (E)-2-cyano-N-(furan-2-ylmethyl)-3-(2-iodophenyl)prop-2-enamide?
(E)-2-cyano-N-(furan-2-ylmethyl)-3-(2-iodophenyl)prop-2-enamide has a molecular weight of 378.17 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-(furan-2-ylmethyl)-3-(2-iodophenyl)prop-2-enamide is sourced from PubChem (CID 2688552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).